(8S)-7-[(3-bromophenyl)methyl]-8-(4-fluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine

C17H15BrFN5 — CID 118169379

IUPAC(8S)-7-[(3-bromophenyl)methyl]-8-(4-fluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
SMILESFc1ccc([C@H]2c3nnnn3CCN2Cc2cccc(Br)c2)cc1
InChIInChI=1S/C17H15BrFN5/c18-14-3-1-2-12(10-14)11-23-8-9-24-17(20-21-22-24)16(23)13-4-6-15(19)7-5-13/h1-7,10,16H,8-9,11H2/t16-/m0/s1
InChIKeyYZQUYOXRVVXYEK-INIZCTEOSA-N
MW388.24 g/mol
LogP3.18
Rot. Bonds3

About (8S)-7-[(3-bromophenyl)methyl]-8-(4-fluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine

(8S)-7-[(3-bromophenyl)methyl]-8-(4-fluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine (PubChem CID 118169379) has the molecular formula C17H15BrFN5 and a molecular weight of 388.24 g/mol. Its IUPAC name is (8S)-7-[(3-bromophenyl)methyl]-8-(4-fluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name(8S)-7-[(3-bromophenyl)methyl]-8-(4-fluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
PubChem CID118169379
Molecular FormulaC17H15BrFN5
Molecular Weight388.24 g/mol
Exact Mass387.05
IUPAC Name(8S)-7-[(3-bromophenyl)methyl]-8-(4-fluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
SMILESFc1ccc([C@H]2c3nnnn3CCN2Cc2cccc(Br)c2)cc1
InChIInChI=1S/C17H15BrFN5/c18-14-3-1-2-12(10-14)11-23-8-9-24-17(20-21-22-24)16(23)13-4-6-15(19)7-5-13/h1-7,10,16H,8-9,11H2/t16-/m0/s1
InChIKeyYZQUYOXRVVXYEK-INIZCTEOSA-N
XLogP3.18
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.24
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (8S)-7-[(3-bromophenyl)methyl]-8-(4-fluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The IUPAC name of (8S)-7-[(3-bromophenyl)methyl]-8-(4-fluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine (CID 118169379) is (8S)-7-[(3-bromophenyl)methyl]-8-(4-fluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine.
What is the SMILES notation for (8S)-7-[(3-bromophenyl)methyl]-8-(4-fluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The canonical SMILES for (8S)-7-[(3-bromophenyl)methyl]-8-(4-fluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine is Fc1ccc([C@H]2c3nnnn3CCN2Cc2cccc(Br)c2)cc1.
What is the InChIKey of (8S)-7-[(3-bromophenyl)methyl]-8-(4-fluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The InChIKey is YZQUYOXRVVXYEK-INIZCTEOSA-N. The full InChI is InChI=1S/C17H15BrFN5/c18-14-3-1-2-12(10-14)11-23-8-9-24-17(20-21-22-24)16(23)13-4-6-15(19)7-5-13/h1-7,10,16H,8-9,11H2/t16-/m0/s1.
What are the key properties of (8S)-7-[(3-bromophenyl)methyl]-8-(4-fluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
(8S)-7-[(3-bromophenyl)methyl]-8-(4-fluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine has a molecular weight of 388.24 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-7-[(3-bromophenyl)methyl]-8-(4-fluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine is sourced from PubChem (CID 118169379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).